SCHEMBL1781602

SCHEMBL1781602

CCCC(C)C(C)(O)CC=CC=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.35
GAPDH P04406 2/20 0.33
DDAH1 O94760 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1781599 1.00 TRPA1 (0.35) TRPA1GAPDHDDAH1MAPTALDH1A1
SCHEMBL1783998 0.85 TRPA1 (0.38) TRPA1GAPDHALDH1A1TSHR
SCHEMBL1783994 0.85 TRPA1 (0.38) TRPA1GAPDHALDH1A1TSHR
SCHEMBL1782187 0.81 TSHR (0.30) TSHR
SCHEMBL1784627 0.79 TRPA1 (0.37) TRPA1GAPDH
SCHEMBL1784629 0.79 TRPA1 (0.37) TRPA1GAPDH
SCHEMBL1782382 0.76 TRPA1 (0.33) TRPA1
SCHEMBL1782383 0.76 TRPA1 (0.33) TRPA1
SCHEMBL1782985 0.71 TRPA1 (0.42) TRPA1GAPDHDDAH1MAPTALDH1A1
SCHEMBL1782988 0.71 TRPA1 (0.42) TRPA1GAPDHDDAH1MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 TRPA1 1/4885GAPDH 3057/4885DDAH1 1730/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.